8,14-bis(2,5-dimethylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine;8,14-bis(4-hexylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine;11-tert-butyl-8,14-bis(2,5-dimethylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,17-diamine

C204H201B3N12 — CID 158718142

About 8,14-bis(2,5-dimethylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine;8,14-bis(4-hexylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine;11-tert-butyl-8,14-bis(2,5-dimethylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,17-diamine

8,14-bis(2,5-dimethylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine;8,14-bis(4-hexylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine;11-tert-butyl-8,14-bis(2,5-dimethylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,17-diamine (PubChem CID 158718142) has the molecular formula C204H201B3N12 and a molecular weight of 2853.37 g/mol. Its IUPAC name is 8,14-bis(2,5-dimethylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine;8,14-bis(4-hexylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine;11-tert-butyl-8,14-bis(2,5-dimethylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,17-diamine.

Molecular Properties

• Compound Name: 8,14-bis(2,5-dimethylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine;8,14-bis(4-hexylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine;11-tert-butyl-8,14-bis(2,5-dimethylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,17-diamine
• PubChem CID: 158718142
• Molecular Formula: C204H201B3N12
• Molecular Weight: 2853.37 g/mol
• Exact Mass: 2851.64
• IUPAC Name: 8,14-bis(2,5-dimethylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine;8,14-bis(4-hexylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine;11-tert-butyl-8,14-bis(2,5-dimethylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,17-diamine
• SMILES: CCCCCCc1ccc(N2c3cc(N(c4ccc(C)cc4)c4ccc(C)cc4)c(C)cc3B3c4cc(C)c(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4N(c4ccc(CCCCCC)cc4)c4cccc2c43)cc1.Cc1ccc(N(c2ccc(C)cc2)c2cc3c(cc2C)B2c4cc(C)c(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4N(c4cc(C)ccc4C)c4cc(C(C)(C)C)cc(c42)N3c2cc(C)ccc2C)cc1.Cc1ccc(N(c2ccc(C)cc2)c2cc3c(cc2C)B2c4cc(C)c(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4N(c4cc(C)ccc4C)c4cccc(c42)N3c2cc(C)ccc2C)cc1
• InChI: InChI=1S/C72H75BN4.C68H67BN4.C64H59BN4/c1-9-11-13-15-18-56-30-42-62(43-31-56)76-66-20-17-21-67-72(66)73(64-46-54(7)68(48-70(64)76)74(58-34-22-50(3)23-35-58)59-36-24-51(4)25-37-59)65-47-55(8)69(75(60-38-26-52(5)27-39-60)61-40-28-53(6)29-41-61)49-71(65)77(67)63-44-32-57(33-45-63)19-16-14-12-10-2;1-42-16-26-53(27-17-42)70(54-28-18-43(2)19-29-54)61-40-63-57(36-50(61)9)69-58-37-51(10)62(71(55-30-20-44(3)21-31-55)56-32-22-45(4)23-33-56)41-64(58)73(60-35-47(6)15-25-49(60)8)66-39-52(68(11,12)13)38-65(67(66)69)72(63)59-34-46(5)14-24-48(59)7;1-40-16-26-50(27-17-40)66(51-28-18-41(2)19-29-51)60-38-62-54(36-48(60)9)65-55-37-49(10)61(67(52-30-20-42(3)21-31-52)53-32-22-43(4)23-33-53)39-63(55)69(59-35-45(6)15-25-47(59)8)57-13-11-12-56(64(57)65)68(62)58-34-44(5)14-24-46(58)7/h17,20-49H,9-16,18-19H2,1-8H3;14-41H,1-13H3;11-39H,1-10H3
• InChIKey: IJOSCROVHDNDOI-UHFFFAOYSA-N
• XLogP: 51.69
• TPSA: 38.88 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 34
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2853.37
LogP ≤ 5	51.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8,14-bis(2,5-dimethylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine;8,14-bis(4-hexylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine;11-tert-butyl-8,14-bis(2,5-dimethylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,17-diamine?

The IUPAC name of 8,14-bis(2,5-dimethylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine;8,14-bis(4-hexylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine;11-tert-butyl-8,14-bis(2,5-dimethylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,17-diamine (CID 158718142) is 8,14-bis(2,5-dimethylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine;8,14-bis(4-hexylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine;11-tert-butyl-8,14-bis(2,5-dimethylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,17-diamine.

What is the SMILES notation for 8,14-bis(2,5-dimethylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine;8,14-bis(4-hexylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine;11-tert-butyl-8,14-bis(2,5-dimethylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,17-diamine?

The canonical SMILES for 8,14-bis(2,5-dimethylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine;8,14-bis(4-hexylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine;11-tert-butyl-8,14-bis(2,5-dimethylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,17-diamine is CCCCCCc1ccc(N2c3cc(N(c4ccc(C)cc4)c4ccc(C)cc4)c(C)cc3B3c4cc(C)c(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4N(c4ccc(CCCCCC)cc4)c4cccc2c43)cc1.Cc1ccc(N(c2ccc(C)cc2)c2cc3c(cc2C)B2c4cc(C)c(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4N(c4cc(C)ccc4C)c4cc(C(C)(C)C)cc(c42)N3c2cc(C)ccc2C)cc1.Cc1ccc(N(c2ccc(C)cc2)c2cc3c(cc2C)B2c4cc(C)c(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4N(c4cc(C)ccc4C)c4cccc(c42)N3c2cc(C)ccc2C)cc1.

What is the InChIKey of 8,14-bis(2,5-dimethylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine;8,14-bis(4-hexylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine;11-tert-butyl-8,14-bis(2,5-dimethylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,17-diamine?

The InChIKey is IJOSCROVHDNDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H75BN4.C68H67BN4.C64H59BN4/c1-9-11-13-15-18-56-30-42-62(43-31-56)76-66-20-17-21-67-72(66)73(64-46-54(7)68(48-70(64)76)74(58-34-22-50(3)23-35-58)59-36-24-51(4)25-37-59)65-47-55(8)69(75(60-38-26-52(5)27-39-60)61-40-28-53(6)29-41-61)49-71(65)77(67)63-44-32-57(33-45-63)19-16-14-12-10-2;1-42-16-26-53(27-17-42)70(54-28-18-43(2)19-29-54)61-40-63-57(36-50(61)9)69-58-37-51(10)62(71(55-30-20-44(3)21-31-55)56-32-22-45(4)23-33-56)41-64(58)73(60-35-47(6)15-25-49(60)8)66-39-52(68(11,12)13)38-65(67(66)69)72(63)59-34-46(5)14-24-48(59)7;1-40-16-26-50(27-17-40)66(51-28-18-41(2)19-29-51)60-38-62-54(36-48(60)9)65-55-37-49(10)61(67(52-30-20-42(3)21-31-52)53-32-22-43(4)23-33-53)39-63(55)69(59-35-45(6)15-25-47(59)8)57-13-11-12-56(64(57)65)68(62)58-34-44(5)14-24-46(58)7/h17,20-49H,9-16,18-19H2,1-8H3;14-41H,1-13H3;11-39H,1-10H3.

What are the key properties of 8,14-bis(2,5-dimethylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine;8,14-bis(4-hexylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine;11-tert-butyl-8,14-bis(2,5-dimethylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,17-diamine?

8,14-bis(2,5-dimethylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine;8,14-bis(4-hexylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine;11-tert-butyl-8,14-bis(2,5-dimethylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,17-diamine has a molecular weight of 2853.37 g/mol, XLogP of 51.69, 34 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 8,14-bis(2,5-dimethylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine;8,14-bis(4-hexylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine;11-tert-butyl-8,14-bis(2,5-dimethylphenyl)-4,18-dimethyl-5-N,5-N,17-N,17-N-tetrakis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,17-diamine is sourced from PubChem (CID 158718142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).